UCSF

ZINC08413496

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2006 36 No

Popular Name: 2,7,7-trimethyl-N-(6-methyl-2-pyridinyl)-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide 2,7,7-trimethyl-N-(6-methyl-2-py…

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Other Names:

MFCD02637252

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.85 10.65 -31.47 2 8 0 99 491.588 6 ↓
Mid Mid (pH 6-8) 3.99 -0.83 -18.13 1 8 0 99 491.588 6 ↓
Lo Low (pH 4.5-6) 3.99 -1.19 -34.62 2 8 1 100 492.596 6 ↓
Lo Low (pH 4.5-6) 3.81 -0.02 -36.7 2 8 1 100 492.596 6 ↓

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )